1-(furan-3-ylmethyl)-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea

C18H23N3O2 — CID 124626389

IUPAC1-(furan-3-ylmethyl)-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
SMILESO=C(NCc1ccoc1)N[C@H](CN1CCCC1)c1ccccc1
InChIInChI=1S/C18H23N3O2/c22-18(19-12-15-8-11-23-14-15)20-17(13-21-9-4-5-10-21)16-6-2-1-3-7-16/h1-3,6-8,11,14,17H,4-5,9-10,12-13H2,(H2,19,20,22)/t17-/m1/s1
InChIKeyZPHUFWJTRJMFBH-QGZVFWFLSA-N
MW313.40 g/mol
LogP2.92
Rot. Bonds6

About 1-(furan-3-ylmethyl)-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea

1-(furan-3-ylmethyl)-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea (PubChem CID 124626389) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
PubChem CID124626389
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-(furan-3-ylmethyl)-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
SMILESO=C(NCc1ccoc1)N[C@H](CN1CCCC1)c1ccccc1
InChIInChI=1S/C18H23N3O2/c22-18(19-12-15-8-11-23-14-15)20-17(13-21-9-4-5-10-21)16-6-2-1-3-7-16/h1-3,6-8,11,14,17H,4-5,9-10,12-13H2,(H2,19,20,22)/t17-/m1/s1
InChIKeyZPHUFWJTRJMFBH-QGZVFWFLSA-N
XLogP2.92
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-3-ylmethyl)-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 124626390
1-benzyl-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 51727871
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 94030307
1-(1-hydroxypropan-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 110892901
2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 57190770
1-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 66685345
1-[(5-bromothiophen-2-yl)methyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea
CID 112818589
1-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;hydrochloride
CID 56648017
(2S)-2-(furan-3-ylmethylcarbamoylamino)butanedioic acid
CID 104874115
1-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclohexane-1-carboxamide
CID 66692251
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
1-benzhydryl-3-[2-(furan-3-yl)ethyl]urea
CID 71798567

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea?
The IUPAC name of 1-(furan-3-ylmethyl)-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea (CID 124626389) is 1-(furan-3-ylmethyl)-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea.
What is the SMILES notation for 1-(furan-3-ylmethyl)-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea?
The canonical SMILES for 1-(furan-3-ylmethyl)-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea is O=C(NCc1ccoc1)N[C@H](CN1CCCC1)c1ccccc1.
What is the InChIKey of 1-(furan-3-ylmethyl)-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea?
The InChIKey is ZPHUFWJTRJMFBH-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-18(19-12-15-8-11-23-14-15)20-17(13-21-9-4-5-10-21)16-6-2-1-3-7-16/h1-3,6-8,11,14,17H,4-5,9-10,12-13H2,(H2,19,20,22)/t17-/m1/s1.
What are the key properties of 1-(furan-3-ylmethyl)-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea?
1-(furan-3-ylmethyl)-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea has a molecular weight of 313.40 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea is sourced from PubChem (CID 124626389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).